Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "418c2e3d9be4d98311e5720afc290127",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.422,
"b": 71.422,
"c": 150.270,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.390,1.250],
"number_observations": 1098826,
"number_observations_unique": 106582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 11201,
"number_observations_unique": 4374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.618
},
{
"type": "R(meas)",
"value": 0.760
},
{
"type": "R(pim)",
"value": 0.433
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 83.700
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.638
}
]
},
{
"resolution_limits": [29.390,6.850],
"number_observations": 8801,
"number_observations_unique": 795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 40.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}